4-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]morpholine
Chemical Structure Depiction of
4-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]morpholine
4-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]morpholine
Compound characteristics
| Compound ID: | D163-0584 |
| Compound Name: | 4-[(7-nitro-1,5-dihydro-3H-2,4-benzodioxepin-3-yl)methyl]morpholine |
| Molecular Weight: | 294.3 |
| Molecular Formula: | C14 H18 N2 O5 |
| Smiles: | C1COCCN1CC1OCc2ccc(cc2CO1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2181 |
| logD: | 1.2106 |
| logSw: | -1.948 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.489 |
| InChI Key: | RXJZLLOYRKYTIN-CQSZACIVSA-N |